N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine

C19H22N6 — CID 71723589

IUPACN',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H22N6/c1-24(2)12-7-13-25(18-20-14-8-3-4-9-15(14)21-18)19-22-16-10-5-6-11-17(16)23-19/h3-6,8-11H,7,12-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyIGMOQQOTBWDFBW-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.53
Rot. Bonds6

About N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine

N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine (PubChem CID 71723589) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine
PubChem CID71723589
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine
SMILESCN(C)CCCN(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H22N6/c1-24(2)12-7-13-25(18-20-14-8-3-4-9-15(14)21-18)19-22-16-10-5-6-11-17(16)23-19/h3-6,8-11H,7,12-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyIGMOQQOTBWDFBW-UHFFFAOYSA-N
XLogP3.53
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine (CID 71723589) is N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine is CN(C)CCCN(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is IGMOQQOTBWDFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-24(2)12-7-13-25(18-20-14-8-3-4-9-15(14)21-18)19-22-16-10-5-6-11-17(16)23-19/h3-6,8-11H,7,12-13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine?
N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine has a molecular weight of 334.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(1H-benzimidazol-2-yl)-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 71723589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).